-
Dear Dr. Stepan,
I am trying to calculate the orbital magnetization and berry curvature for CrTe system. The band structure has 60 bands from VASP calculations and I have a wannier90 TB (with ISYM = …
-
Dear Wannier90 Developers,
I have two questions on using the time reversal symmetry in wannierization:
1. when giving the kpoints block to wannier90 program, is there a way to only provide the kpo…
zhcui updated
3 years ago
-
In the `aiida-wannier90` plugin, we can get some of the files needed as input:
- either from a `FolderData`, if they have been retrieved in the AiiDA repository;
- or from a `RemoteData`, if they h…
-
Hello,
I tried to run the package with VASP. When I ran the code, the following error occurs. How to fix this. I ran self consistent calculation and included wannier tags in INCAR and then re-ran …
-
I have tried to use read_hr function on both windows and mac. It works smoothly on Mac, while it takes forever on windows(>15mins). It should not be related to computer performance as the windows comp…
-
Hello everyone,
I am simulating polyyne (a 1D carbon chain with alternating single and triple bonds). I want to simulate 1D but I noticed that 1D simulations are not yet implemented for DFT. In or…
-
When run with multiple cores, `seedname_r.dat` file written with `write_rmn = .true.` contains NaN. When run with 1 core, the result is fine. I used develop branch commit dd450c62.
Example output (…
-
wannier 90 fail to build with numerous REAL/COMPLEX type mismatch errors on gcc-10.3.0/gentoo. Quick google check shows numerous reports on compilation failures with gcc 10, see for example https://gi…
-
In the periodic workflow we combine primitive cell (pwscf pw2wannier90 wannier90) and Super cell (kcp.x) calculations that might require very different parallelization strategies. Asking for the adequ…
-
### Solution to issue cannot be found in the documentation.
- [X] I checked the documentation.
### Issue
Dear all,
It seems for me that when running wannier90.x using more than one np the progra…